REMARK Name = BDB025054 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.909 -0.497 1.458 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.966 -0.969 0.527 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.215 -2.238 -0.200 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.364 -2.086 -1.214 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.006 -2.797 -0.967 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.733 -2.600 -0.177 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.560 -1.125 0.033 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.298 -0.505 -0.072 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.091 -1.058 -0.390 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.807 -0.090 -0.338 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.194 1.121 -0.051 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -1.158 0.853 0.159 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -2.249 1.657 0.502 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.500 1.034 0.615 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.678 -0.339 0.393 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.809 0.513 2.147 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.712 2.493 -0.016 0.00 0.00 +0.090 C ATOM 18 C LIG 1 2.172 2.709 0.420 0.00 0.00 +0.039 C ATOM 19 C LIG 1 2.558 4.196 0.516 0.00 0.00 +0.100 C ATOM 20 C LIG 1 2.215 4.942 -0.779 0.00 0.00 +0.015 C ATOM 21 C LIG 1 0.775 4.712 -1.233 0.00 0.00 +0.003 C ATOM 22 C LIG 1 0.439 3.226 -1.341 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 1.953 4.870 1.732 0.00 0.00 +0.308 C ATOM 24 O LIG 1 1.141 4.393 2.505 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 2.431 6.113 1.926 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 1.983 6.422 2.742 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -7.965 -0.912 2.526 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -6.989 -1.329 1.570 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 2.279 -0.354 -0.574 0.00 0.00 +0.052 C ATOM 30 C LIG 1 2.606 -0.100 -2.045 0.00 0.00 +0.015 C BRANCH 29 31 ATOM 31 C LIG 1 2.630 -1.801 -0.126 0.00 0.00 +0.014 C BRANCH 31 32 ATOM 32 C LIG 1 4.129 -2.083 0.112 0.00 0.00 -0.006 C ATOM 33 C LIG 1 4.300 -3.352 0.960 0.00 0.00 +0.031 C ATOM 34 C LIG 1 5.775 -3.633 1.251 0.00 0.00 +0.160 C ATOM 35 O LIG 1 6.659 -3.147 0.241 0.00 0.00 -0.380 OA ATOM 36 C LIG 1 6.091 -3.226 -1.060 0.00 0.00 +0.160 C ATOM 37 C LIG 1 4.942 -2.227 -1.186 0.00 0.00 +0.031 C ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7